lammps:75a39680392099ecfcdc300c961ae904ca8da09c commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/75a39680392099ecfcdc300c961ae904ca8da09c 2018-06-29T06:48:11-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/75a39680392099ecfcdc300c961ae904ca8da09c multiple small tweaks to compute entropy/atom 2018-06-29T06:48:11-04:00 Axel Kohlmeyer akohlmey@gmail.com - improve error detection and messages - avoid sigma/cutoff to be zero (and thus division by zero) - move new/delete of temporary storage outside of loop https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a3a2981cd2a73e8e1e44893a46a5cb1f64b9634e remove unused class member 2018-06-29T01:22:35-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4f9c0456e6c4ed2d83a6330491794a2c9eb1e249 eliminate variable length arrays from compute entropy/atom 2018-06-29T01:22:26-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/264f832b1843e25b0aa88eec4ef5169552e23332 fix formatting of dump_modify docs 2018-06-27T07:58:57-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8e141439080c574a93f5c6591cfd613b4c2683c2 Merge pull request #925 from PabloPiaggi/pair_entropy 2018-06-26T13:16:09-06:00 Steve Plimpton sjplimp@sandia.gov Pair entropy fingerprint https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e6ef8ce5ee2ddd53c3638c9f60eea347a6125b34 Merge pull request #968 from oywg11/github-tutorial-update 2018-06-26T13:14:22-06:00 Steve Plimpton sjplimp@sandia.gov New paramteters for potential #839 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e2622f0230a840ec89330c10fbe9c0acc0f86c53 Remap the paragraph 2018-06-26T17:27:55+03:00 oywg11 w.g.ouyang@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e4dd6dec404e348cc0369ca3ca90ad20a51d2117 Refine the documentation 2018-06-26T16:36:16+03:00 oywg11 w.g.ouyang@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b0126dd9d6a0cbd66f6cc1ae4e499af206497ab2 updata potential file CH.KC 2018-06-26T16:09:42+03:00 oywg11 w.g.ouyang@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f36e1a2cdc6e2d297ccbfc65dc2a1c78060fe1bb Changed default deltabin from 2 to 3 2018-06-26T13:06:04+02:00 PabloPiaggi ppiaggi@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c9d147c366fc730249730b17842af1c172cf2609 New paramteters for potential #839 2018-06-26T11:09:48+03:00 oywg11 w.g.ouyang@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5e485657611c6056e736989740744f81b6bedc03 Merge pull request #961 from cnegre/newsystem 2018-06-25T17:20:57-06:00 Steve Plimpton sjplimp@sandia.gov Added newsystem flag to be passed to latte https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/af91f7fa5d83ba40bd9b40f06cb37f190c7a6e4b LAMMPS does not build on windows without this one 2018-06-25T18:13:41-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0cd86bab229dc5a668c57043d0f0d232017c2b5d Added new checksum value 2018-06-25T14:58:49-06:00 Christian F. A. Negre christianfannegre@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bec82e404508335aa66805eb7b9ef776657d8130 Added new checksum value 2018-06-25T14:23:44-06:00 Christian F. A. Negre christianfannegre@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2fd45050cdebbd1117b82b60da78d198479c88ff Merge branch 'newsystem' of https://github.com/cnegre/lammps into newsystem 2018-06-25T08:44:57-06:00 Christian F. A. Negre christianfannegre@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8ffa96c9e9d9c4684e5a1e72ec0b9468c22f1058 Added fix latte 2018-06-25T08:43:00-06:00 Christian F. A. Negre christianfannegre@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6a9251245c8615c177e79505a7f428d2b9d2bca9 update MD5 sum for latte-v1.2.0.tar.gz src archive 2018-06-25T09:43:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9108306c119c62fa3c387a8788b7196f2af42b5d Shorter entropy/atom example 2018-06-24T00:36:09+02:00 PabloPiaggi ppiaggi@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/86519ce213f3341313922efd41407e5751036386 Rename compute to entropy/atom 2018-06-24T00:25:07+02:00 PabloPiaggi ppiaggi@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d237625d2ac4d8bd7d17a9fae8324ddc4e064947 patch 22Jun18 2018-06-22T14:08:09-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/510834cb7bd3574d4c6f0d87c32d6e2a4a479dbf Merge pull request #960 from lammps/latte-tweak 2018-06-22T10:18:19-06:00 Steve Plimpton sjplimp@sandia.gov made latte.in compatible with v1.1.1 and updated log files https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2165a2aa9bb5e1c7f39d67efc498bfb2d73d1964 Changed version on cmakelist and install.py 2018-06-22T10:04:20-06:00 Christian F. A. Negre christianfannegre@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f5f73b0172255de57df1c2b6715d972799a36612 Merge pull request #958 from ndtrung81/gpu-updates 2018-06-22T08:52:20-06:00 Steve Plimpton sjplimp@sandia.gov Bug fixes and updates to the GPU package https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dc132c8bf1bbd1c1911030d5f64ca6e77523f88f Added newsystem flag to be passed to latte 2018-06-21T15:40:20-06:00 Christian F. A. Negre christianfannegre@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f0a2c57401e86da355d7f34ab8baf4fc5884b7d3 Merge pull request #959 from rbberger/cmake_documentation 2018-06-21T13:57:48-06:00 Steve Plimpton sjplimp@sandia.gov Expand cmake documentation https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4ca3d30db70c6e45960475b5abb942f90f153f78 Add BUILD_MPI and BUILD_OMP in cmake docs 2018-06-21T14:45:00-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cbfb751e92291b089bdf5affde8eb1fc0d162b31 made latte.in compatible with v1.1.1 and updated log files 2018-06-21T11:10:29-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/65c895721fba8b69ab98a6b81803b91881f4e157 Update README.md to reflect change ENABLE_* to PKG_* 2018-06-21T12:32:46-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bfacfc46be6d3dcd2120bfb55bea3aa5c620feb3 Add TOC to README.md 2018-06-21T12:32:46-04:00 Richard Berger themechatronic@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/919d95d37501be38afd206e7b1879bb58efa6736 Fill in package descriptions 2018-06-21T12:32:46-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/258185690d58bcef6f514eefa282da154ffc6381 Fixup GitHub markup version 2018-06-21T12:32:46-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cea0227f147801e546249e0620e57f26b61bd3b5 Expand CMake build documentation 2018-06-21T12:32:32-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3e58ebea4f9e86da3b06fe68c78ac99f213522e3 Merge pull request #957 from akohlmey/collected_small_fixes 2018-06-21T08:49:18-06:00 Steve Plimpton sjplimp@sandia.gov Collected small changes and bugfixes for next patch release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7a22612bea56bb12c29d331125d7e0fdc3024dd3 Merge pull request #956 from cnegre/latte_examples 2018-06-21T08:48:56-06:00 Steve Plimpton sjplimp@sandia.gov Added boxrel example and simplified latte.in https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9805b5d34ab70dbff3e2023e142606a0dbff3b87 Merge pull request #955 from junghans/fortran_linking 2018-06-21T08:48:26-06:00 Steve Plimpton sjplimp@sandia.gov cmake: implicit fortran libs need to linked last https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/28504e91c0cbb1a5aa58f156d5a0efbc245a4049 Added missing source files for born/coul/wolf/cs in the gpu library 2018-06-20T15:08:24-05:00 Trung Nguyen ndactrung@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/47482afbc1a6fa36108d145c7571c2389baff86d add more thorough checks on parsing reaxff force field and signal when the... 2018-06-20T15:47:32-04:00 Axel Kohlmeyer akohlmey@gmail.com add more thorough checks on parsing reaxff force field and signal when the lgvdw setting is correct. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7d3a549de9fe48cd2ed33b71dd30e087c991d1c8 remove entries that are not compatible with lgvdw yes and not included in the... 2018-06-20T14:16:34-04:00 Axel Kohlmeyer akohlmey@gmail.com closes #876 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a9b794b2ab83e32af0386a5ad4d4a69d0305157c Updates to the core-shell gpu pair styles 2018-06-20T10:43:13-05:00 Trung Nguyen ndactrung@gmail.com